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In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes
Authors: Hugenbruch, Stefan; Shafaat, Hannah S.; Krämer, Tobias; Delgado-Jaime, Mario Ulises; Weber, Katharina; Neese, Frank; Lubitz, Wolfgang; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2016-04-28
Title of Journal: Physical Chemistry Chemical Physics
Volume: 18
Issue / Number: 16
Start Page: 10688
End Page: 10699
Document Type: Article
ID: 722479.0


K beta Valence to Core X-ray Emission Studies of Cu(I) Binding Proteins with Mixed Methionine - Histidine Coordination. Relevance to the Reactivity of the M- and H-sites of Peptidylglycine Monooxygenase
Authors: Martin-Diaconescu, Vlad; Chacon, Kelly N.; Delgado-Jaime, Mario Ulises; Sokaras, Dimosthenis; Weng, Tsu-Chien; DeBeer, Serena; Blackburn, Ninian J.
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 7
Start Page: 3431
End Page: 3439
Document Type: Article
ID: 720459.0


Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase
Authors: Bjornsson, Ragnar; Delgado-Jaime, Mario Ulises; Lima, Frederico A.; Sippel, Daniel; Schlesier, Julia; Weyhermüller, Thomas; Einsle, Oliver; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Zeitschrift fur Anorganische und Allgemeine Chemie
Volume: 641
Issue / Number: 1 Sp. Iss. SI
Start Page: 65
End Page: 71
Document Type: Article
ID: 712719.0


Ni Valence-to-Core X-Ray Emission Spectroscopy: An experimental probe of [NiFe] hydrogenase intermediates
Authors: Delgado-Jaime, Mario Ulises; Shafaat, Hannah S.; Krämer, Tobias; Weber, Katharina; Neese, Frank; Lubitz, Wolfgang; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of Biological Inorganic Chemistry
Volume: 19
Issue / Number: Suppl. 1
Start Page: S346
End Page: S346
Document Type: Article
ID: 700612.0


Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal-Ligand Covalency.
Authors: Pollock, Christopher J.; Delgado-Jaime, Mario Ulises; Atanasov, Mihail; Neese, Frank; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of the American Chemical Society
Volume: 136
Issue / Number: 26
Start Page: 9453
End Page: 9463
Document Type: Article
ID: 708880.0


Valence-to-Core X-Ray Emission Spectroscopy of Iron-Carbonyl Complexes: Implications for the Examination of Catalytic Intermediates
Authors: Delgado-Jaime, Mario Ulises; DeBeer, Serena; Bauer, Matthias
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Chemistry-A European Journal
Volume: 19
Issue / Number: 47
Start Page: 15888
End Page: 15897
Document Type: Article
ID: 677344.0


Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged Mn-IV Dimers Relevant to Redox-Active Metalloproteins.
Authors: Lassalle-Kaiser, Benedikt; Boron, Thaddeus T.; Krewald, Vera; Kern, Jan; Beckwith, Martha A.; Delgado-Jaime, Mario Ulises; Schroeder, Henning; Alonso-Mori, Roberto; Nordlund, Dennis; Weng, Tsu-Chien; Sokaras, Dimosthenis; Neese, Frank; Bergmann, Uwe; Yachandra, Vittal K.; DeBeer, Serena; Pecoraro, Vincent L.; Yano, Junko
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Inorganic Chemistry
Volume: 52
Issue / Number: 22
Start Page: 12915
End Page: 12922
Document Type: Article
ID: 682079.0


Expedited analysis of DFT outputs: Introducing moanalyzer
Authors: Delgado-Jaime, Mario Ulises; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2012-06-13
Title of Journal: Journal of Computational Chemistry
Volume: 33
Issue / Number: 27
Start Page: 2180
End Page: 2185
Document Type: Article
ID: 633327.0


Identification of a Single Light Atom within a Multinuclear Metal Cluster Using Valence-to-Core X-ray Emission Spectroscopy
Authors: Delgado-Jaime, Mario Ulises; Dible, Benjamin R.; Chiang, Karen P.; Brennessel, William W.; Bergmann, Uwe; Holland, Patrick L.; DeBeer, Serena
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Inorganic Chemistry
Volume: 50
Start Page: 10709
End Page: 10717
Document Type: Article
ID: 577482.0